CID 62793

Dtxsid60865197

Structural Information

Molecular Formula
C21H44O2
SMILES
CCCCCCCCCCCCCCCCCCOCC(C)O
InChI
InChI=1S/C21H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-21(2)22/h21-22H,3-20H2,1-2H3
InChIKey
ZQCIPRGNRQXXSK-UHFFFAOYSA-N
Compound name
1-octadecoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

5852
Patents

328.33414 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.34142 194.4
[M+Na]+ 351.32336 194.6
[M-H]- 327.32686 190.4
[M+NH4]+ 346.36796 207.9
[M+K]+ 367.29730 191.0
[M+H-H2O]+ 311.33140 187.1
[M+HCOO]- 373.33234 211.1
[M+CH3COO]- 387.34799 214.2
[M+Na-2H]- 349.30881 191.6
[M]+ 328.33359 201.7
[M]- 328.33469 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe